Geometry & MOs

Info

ID:	218306
PubChem CID:	85089152
Reduced:	N2S2O5C21H22 (1)
Stoich.:	A2B2C5D21E22 (1)
Weight, g/mol:	446.303224
ΔH_f, kcal/mol:	-114.14
Dipole, Da:	2.29
IP(EA), eV:	-9.44(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,6-trihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-7,11-dione

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(=CC3CCOCC3)C(=O)NC4=NC=C(S4)C=O

DOS

IR

Vibrations